Chemical Properties of (2E,4S,7E)-4-Isopropyl-1,7-dimethylcyclodeca-2,7-dienol (CAS 198991-79-6)

InChI

InChI=1S/C15H26O/c1-12(2)14-8-7-13(3)6-5-10-15(4,16)11-9-14/h6,9,11-12,14,16H,5,7-8,10H2,1-4H3/b11-9+,13-6+

InChI Key

RHCTXHCNRLCYBN-BMCYRRRCSA-N

Formula

C15H26O

SMILES

CC1=CCCC(C)(O)C=CC(C(C)C)CC1

Molecular Weight¹

222.37

CAS

198991-79-6

Other Names

• Germacrene D-4-ol
• 2,7-Cyclodecadien-1-ol, 1,7-dimethyl-4-(1-methylethyl)-, (2E,4S,7E)-
• Germacren D-4-ol
• Germacrene-«delta»-4-ol
• D-Germacren-4-ol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-50.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-381.77	kJ/mol	Joback Calculated Property
ΔfusH°	15.43	kJ/mol	Joback Calculated Property
ΔvapH°	66.18	kJ/mol	Joback Calculated Property
log10WS	-4.60		Crippen Calculated Property
logPoct/wat	4.086		Crippen Calculated Property
McVol	208.620	ml/mol	McGowan Calculated Property
Pc	2096.50	kPa	Joback Calculated Property
Inp	[1550.00; 1597.00]
Inp	Outlier 1553.00		NIST
Inp	1566.00		NIST
Inp	1574.00		NIST
Inp	1569.00		NIST
Inp	1576.00		NIST
Inp	1572.00		NIST
Inp	1576.00		NIST
Inp	1574.00		NIST
Inp	1570.00		NIST
Inp	1572.00		NIST
Inp	1574.00		NIST
Inp	1574.00		NIST
Inp	1574.00		NIST
Inp	1574.00		NIST
Inp	1578.00		NIST
Inp	1574.00		NIST
Inp	1574.00		NIST
Inp	1577.00		NIST
Inp	1575.00		NIST
Inp	1580.00		NIST
Inp	1578.00		NIST
Inp	1574.00		NIST
Inp	1578.00		NIST
Inp	1574.00		NIST
Inp	1574.00		NIST
Inp	1574.00		NIST
Inp	1574.00		NIST
Inp	1571.00		NIST
Inp	1576.00		NIST
Inp	1574.00		NIST
Inp	Outlier 1590.00		NIST
Inp	Outlier 1556.00		NIST
Inp	1570.00		NIST
Inp	1574.00		NIST
Inp	1576.00		NIST
Inp	1574.00		NIST
Inp	1583.00		NIST
Inp	1560.00		NIST
Inp	1558.00		NIST
Inp	1567.00		NIST
Inp	1574.00		NIST
Inp	1559.00		NIST
Inp	1577.00		NIST
Inp	1576.00		NIST
Inp	1570.00		NIST
Inp	1576.00		NIST
Inp	1573.00		NIST
Inp	1575.00		NIST
Inp	Outlier 1595.00		NIST
Inp	1576.00		NIST
Inp	1579.00		NIST
Inp	1571.00		NIST
Inp	1579.00		NIST
Inp	1573.00		NIST
Inp	Outlier 1597.00		NIST
Inp	1574.00		NIST
Inp	1567.00		NIST
Inp	1572.00		NIST
Inp	Outlier 1597.00		NIST
Inp	1578.00		NIST
Inp	1578.00		NIST
Inp	1579.00		NIST
Inp	1573.00		NIST
Inp	1560.00		NIST
Inp	1577.00		NIST
Inp	Outlier 1597.00		NIST
Inp	1559.00		NIST
Inp	1569.00		NIST
Inp	1560.00		NIST
Inp	1578.00		NIST
Inp	1578.00		NIST
Inp	1576.00		NIST
Inp	1576.00		NIST
Inp	1574.00		NIST
Inp	1573.00		NIST
Inp	Outlier 1550.00		NIST
Inp	1576.00		NIST
Inp	1570.00		NIST
Inp	1568.00		NIST
Inp	1576.00		NIST
Inp	1576.00		NIST
Inp	1577.00		NIST
Inp	1573.00		NIST
Inp	1575.00		NIST
Inp	1574.00		NIST
Inp	1576.00		NIST
Inp	1570.00		NIST
Inp	1582.00		NIST
Inp	1570.00		NIST
Inp	1574.00		NIST
Inp	1574.00		NIST
Inp	1576.00		NIST
Inp	1576.00		NIST
Inp	1575.00		NIST
Inp	1572.00		NIST
Inp	1576.00		NIST
Inp	1576.00		NIST
Inp	1573.00		NIST
Inp	1573.00		NIST
Inp	1579.00		NIST
Inp	1576.00		NIST
Inp	1576.00		NIST
Inp	1576.00		NIST
Inp	1577.00		NIST
Inp	1576.00		NIST
Inp	1577.00		NIST
Inp	1577.00		NIST
Inp	Outlier 1557.00		NIST
Inp	1574.00		NIST
Inp	1574.00		NIST
Inp	1574.00		NIST
Inp	Outlier 1554.00		NIST
Inp	1574.00		NIST
Inp	1568.00		NIST
Inp	1564.00		NIST
Inp	Outlier 1557.00		NIST
Inp	1571.00		NIST
Inp	1574.00		NIST
Inp	1576.00		NIST
Inp	1577.00		NIST
Inp	Outlier 1557.00		NIST
Inp	1578.00		NIST
Inp	1571.00		NIST
Inp	1570.00		NIST
Inp	1560.00		NIST
I	[2015.00; 2070.00]
I	2050.00		NIST
I	Outlier 2018.00		NIST
I	2044.00		NIST
I	2035.00		NIST
I	2057.00		NIST
I	2041.00		NIST
I	2054.00		NIST
I	2049.00		NIST
I	2044.00		NIST
I	Outlier 2015.00		NIST
I	2048.00		NIST
I	2069.00		NIST
I	2069.00		NIST
I	2069.00		NIST
I	2069.00		NIST
I	2069.00		NIST
I	2038.00		NIST
I	2069.00		NIST
I	2070.00		NIST
I	2069.00		NIST
I	2069.00		NIST
I	2069.00		NIST
I	2069.00		NIST
I	2069.00		NIST
I	2069.00		NIST
I	2069.00		NIST
I	2069.00		NIST
I	Outlier 2018.00		NIST
Tboil	669.84	K	Joback Calculated Property
Tc	882.46	K	Joback Calculated Property
Tfus	331.63	K	Joback Calculated Property
Vc	0.758	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[595.33; 704.06]	J/mol×K	[669.84; 882.46]
Cp,gas	595.33	J/mol×K	669.84	Joback Calculated Property
Cp,gas	615.86	J/mol×K	705.28	Joback Calculated Property
Cp,gas	635.31	J/mol×K	740.71	Joback Calculated Property
Cp,gas	653.77	J/mol×K	776.15	Joback Calculated Property
Cp,gas	671.33	J/mol×K	811.58	Joback Calculated Property
Cp,gas	688.06	J/mol×K	847.02	Joback Calculated Property
Cp,gas	704.06	J/mol×K	882.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to (2E,4S,7E)-4-Isopropyl-1,7-dimethylcyclodeca-2,7-dienol.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.